1-[2-chloranyl-5-(4-piperazin-1-ylphenyl)phenyl]-N-(cyanomethyl)-4-methylsulfanyl-pyrrolidine-2-carboxamide

Systemtic Name: 1-[2-chloranyl-5-(4-piperazin-1-ylphenyl)phenyl]-N-(cyanomethyl)-4-methylsulfanyl-pyrrolidine-2-carboxamide Openeye Name: 1-[2-chloro-5-(4-piperazin-1-ylphenyl)phenyl]-N-(cyanomethyl)-4-methylsulfanyl-pyrrolidine-2-carboxamide CAS Name: 1-[2-chloro-5-[4-(1-piperazinyl)phenyl]phenyl]-N-(cyanomethyl)-4-(methylthio)-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-chloro-5-(4-piperazin-1-ylphenyl)phenyl]-N-(cyanomethyl)-4-methylsulfanylpyrrolidine-2-carboxamide Traditional Name: 1-[2-chloro-5-(4-piperazinophenyl)phenyl]-N-(cyanomethyl)-4-(methylthio)pyrrolidine-2-carboxamide Formula: C24H28ClN5OS MolecularWeight: 470.03002

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CC(N(C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)N4CCNCC4)Cl)C(=O)NCC#N

Isomeric SMILES

CSC1CC(N(C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)N4CCNCC4)Cl)C(=O)NCC#N

InChI

InChI=1S/C24H28ClN5OS/c1-32-20-15-23(24(31)28-9-8-26)30(16-20)22-14-18(4-7-21(22)25)17-2-5-19(6-3-17)29-12-10-27-11-13-29/h2-7,14,20,23,27H,9-13,15-16H2,1H3,(H,28,31)